Molecule ID: mol6023
SMILES: O=C(O)c1ccc(C(=O)O)c(NCCO)c1
InChI: InChI=1S/C10H11NO5/c12-4-3-11-8-5-6(9(13)14)1-2-7(8)10(15)16/h1-2,5,11-12H,3-4H2,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | IUPAC digitized pKa | 1 » 0 |
| 3.40 | IUPAC digitized pKa | 0 » -1 |
| 4.73 | IUPAC digitized pKa | -1 » -2 |